Chemical Properties of Dichloroacetic acid, 2-methyloct-5-yn-4-yl ester

Dichloroacetic acid, 2-methyloct-5-yn-4-yl ester

InChI
InChI=1S/C11H16Cl2O2/c1-4-5-6-9(7-8(2)3)15-11(14)10(12)13/h8-10H,4,7H2,1-3H3
InChI Key
AHCSRIQXLAZANZ-UHFFFAOYSA-N
Formula
C11H16Cl2O2
SMILES
CCC#CC(CC(C)C)OC(=O)C(Cl)Cl
Molecular Weight1
251.15
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔfH°gas -352.07 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 29.56 kJ/mol Joback Calculated Property
ΔvapH° 68.71 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 3.161 Crippen Calculated Property
McVol 189.170 ml/mol McGowan Calculated Property
Inp [1431.00; 1431.00]   Show Hide
Inp 1431.00 NIST
Inp 1431.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [433.40; 506.82] J/mol×K [592.04; 801.84] Show Hide
Cp,gas 433.40 J/mol×K 592.04 Joback Calculated Property
Cp,gas 447.59 J/mol×K 627.01 Joback Calculated Property
Cp,gas 460.99 J/mol×K 661.97 Joback Calculated Property
Cp,gas 473.59 J/mol×K 696.94 Joback Calculated Property
Cp,gas 485.42 J/mol×K 731.91 Joback Calculated Property
Cp,gas 496.49 J/mol×K 766.87 Joback Calculated Property
Cp,gas 506.82 J/mol×K 801.84 Joback Calculated Property

Similar Compounds

Trichloroacetic acid, 2-methyloct-5-yn-4-yl ester. Dichloroacetic acid, 2,7-dimethyloct-7-en-5-yn-4-yl. 3-Chloropropionic acid, 2-methyloct-5-yn-4-yl ester. Butanoic acid, 2-methyloct-5-yn-4-yl ester. 2,2-Dimethylpropanoic acid, 2-methyloct-5-yn-4-yl ester. Succinic acid, di(2-methyloct-5-yn-4-yl) ester. Succinic acid, 2,2-dichloroethyl 2-methyloct-5-yn-4-yl ester. Acetoxyacetic acid, 2-methyloct-5-yn-4-yl ester. Succinic acid, hex-4-yn-3-yl 2-methyloct-5-yn-4-yl ester. valeric acid, 2-methyloct-5-yn-4-yl ester. Glutaric acid, di(2-methyloct-5-yn-4-yl) ester. Trichloroacetic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Cyclopropanecarboxylic acid, 2-methyloct-5-yn-4-yl ester. 4-Bromobutanoic acid, 2-methyl-5-yn-4-yl ester. Hexanoic acid, 2-methyloct-5-yn-4-yl ester.

Find more compounds similar to Dichloroacetic acid, 2-methyloct-5-yn-4-yl ester.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.